7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C24H24ClFN4O3 — CID 146270436

IUPAC7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1c2cc(-c3cc(NC4CCOC4)ncc3Cl)cn2CCN1Cc1cc(F)ccc1CO
InChIInChI=1S/C24H24ClFN4O3/c25-21-10-27-23(28-19-3-6-33-14-19)9-20(21)17-8-22-24(32)30(5-4-29(22)12-17)11-16-7-18(26)2-1-15(16)13-31/h1-2,7-10,12,19,31H,3-6,11,13-14H2,(H,27,28)
InChIKeyAFBAOFBJDXHSKQ-UHFFFAOYSA-N
MW470.93 g/mol
LogP3.69
Rot. Bonds6

About 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 146270436) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID146270436
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1c2cc(-c3cc(NC4CCOC4)ncc3Cl)cn2CCN1Cc1cc(F)ccc1CO
InChIInChI=1S/C24H24ClFN4O3/c25-21-10-27-23(28-19-3-6-33-14-19)9-20(21)17-8-22-24(32)30(5-4-29(22)12-17)11-16-7-18(26)2-1-15(16)13-31/h1-2,7-10,12,19,31H,3-6,11,13-14H2,(H,27,28)
InChIKeyAFBAOFBJDXHSKQ-UHFFFAOYSA-N
XLogP3.69
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 146270436) is 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is O=C1c2cc(-c3cc(NC4CCOC4)ncc3Cl)cn2CCN1Cc1cc(F)ccc1CO.
What is the InChIKey of 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is AFBAOFBJDXHSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c25-21-10-27-23(28-19-3-6-33-14-19)9-20(21)17-8-22-24(32)30(5-4-29(22)12-17)11-16-7-18(26)2-1-15(16)13-31/h1-2,7-10,12,19,31H,3-6,11,13-14H2,(H,27,28).
What are the key properties of 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 470.93 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-2-(oxolan-3-ylamino)-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 146270436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).